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Home > Fluorides > 1269292-12-7
1269292-12-7 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-
CAS No: 1269292-12-7 Catalog No: AG000TJV MDL No:MFCD20275399
Product Description
Catalog Number:
AG000TJV
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-
CAS Number:
1269292-12-7
Molecular Formula:
C8H11F3N2
Molecular Weight:
192.1815
MDL Number:
MFCD20275399
IUPAC Name:
1-tert-butyl-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C8H11F3N2/c1-7(2,3)13-6(4-5-12-13)8(9,10)11/h4-5H,1-3H3
InChI Key:
LEPWZTSAQXDORG-UHFFFAOYSA-N
SMILES:
FC(c1ccnn1C(C)(C)C)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.185g/mol
Monoisotopic Mass:
192.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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